Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1441617774
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-3939535663
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1441617774.sdf |
| SMILES | MCULE-1441617774.smiles |
| Standard InChI | MCULE-1441617774.inchi |
| InChIKey | MCULE-1441617774.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867588902 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875748369 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851935916 | AmBeed | In stock | N/A | As is | in stock |
| P-865910938 | Angene | Building Blocks in stock | 97 | As is | 20 g |
| P-869391019 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893235264 | Biosynth | In Stock | 95 | As is | in stock |
| P-856008979 | Key Organics | Biochemicals | 97 | As is | unavailable |
| P-904220062 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-904250606 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-904236925 | TargetMol | Screening Compounds - stock amount | 95 | As is | 94 mg |
| P-855017367 | Toronto Research | In stock | 90 | As is | in stock |
| P-868514185 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-867553997 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
| P-875712544 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-869191815 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-505352362 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-505389391 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
| P-580269319 | Aldlab Chemicals | Building Block Custom Synth | 95 | As a main component | by synthesis |
| P-606915477 | AmBeed | In stock | N/A | As a main component | in stock |
| P-596942612 | Angene | Building Blocks in stock | 98 | As a main component | 300 g |
| P-864142033 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-868545533 | Axon Medchem | Axon predominantly SC catalog | 99 | As a main component | in stock |
| P-893219331 | Biosynth | In Stock | 95 | As a main component | in stock |
| P-893235188 | Biosynth | In Stock | 95 | As a main component | in stock |
| P-500143833 | Chemtos | In-stock Products | 95 | As a main component | in stock |
| P-860799580 | Chiralstar | Chiralstar Building Blocks | 98 | As a main component | in stock |
| P-505513536 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-524441566 | Key Organics | Biochemicals | 97 | As a main component | 421 mg |
| P-617608746 | Specs | Screening Compounds | 90 | As a main component | 258 mg |
| P-902838883 | Specs | Natural Products | 80 | As a main component | 258 mg |
| P-869118543 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892288831 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
| P-888633603 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 200 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 312.404 |
| logP | 2.3766 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 90.65 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 84.5171 |
| Atoms | 50 |
| Rings | 1 |
| Heavy atoms | 22 |
| Hydrogen atoms | 28 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
